Thermodynamic integration: Difference between revisions

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Used to calculate the free energy difference between two states.
Used to calculate the difference in the [[Helmholtz energy function]] between two states.
The path must be ''continuous'' and ''reversible''.
The path must be ''continuous'' and ''reversible''.
One has a  continuously variable energy function <math>U_\lambda</math> such that
One has a  continuously variable energy function <math>U_\lambda</math> such that

Revision as of 17:22, 5 March 2007

Used to calculate the difference in the Helmholtz energy function between two states. The path must be continuous and reversible. One has a continuously variable energy function such that , and ,

where

.